Articles
Page 36 of 39
-
Citation: Chemistry Central Journal 2009 3(Suppl 1):P76
-
Pseudoreceptor-based pocket selection in a molecular dynamics simulation of the histamine H4 receptor
Citation: Chemistry Central Journal 2009 3(Suppl 1):P74 -
Identification of Plk1 type II inhibitors by structure-based virtual screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):P65 -
Fuzzy virtual ligands for virtual screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):P63 -
DrugscoreMapsvisualizing similarities in protein-ligand interactions
Citation: Chemistry Central Journal 2009 3(Suppl 1):P61 -
Predicting interactions between small molecules and RNA
Citation: Chemistry Central Journal 2009 3(Suppl 1):P59 -
Molecular modeling studies of lipase-catalyzed β-lactam polymerization
Citation: Chemistry Central Journal 2009 3(Suppl 1):P57 -
Molecular modeling studies on dengue and West Nile Virus NS2B/NS3 protease inhibitor interaction
Citation: Chemistry Central Journal 2009 3(Suppl 1):P55 -
Multi-scale modelling of macromolecular conformational changes
Citation: Chemistry Central Journal 2009 3(Suppl 1):P53 -
Dissecting the mechanism of adenosine kinase inhibition: new insights for drug designing
Citation: Chemistry Central Journal 2009 3(Suppl 1):P51 -
Designing binding pockets on protein surfaces using the A* algorithm
Citation: Chemistry Central Journal 2009 3(Suppl 1):P49 -
A distance-based method for evaluating protein-structures
Citation: Chemistry Central Journal 2009 3(Suppl 1):P47 -
Glide XP fragment docking and structurebased pharmacophores
Citation: Chemistry Central Journal 2009 3(Suppl 1):P45 -
Crystallographic and theoretical investigation of interactions of water molecule with aryl ring
Citation: Chemistry Central Journal 2009 3(Suppl 1):P43 -
Personalised information spaces for chemical digital libraries
Citation: Chemistry Central Journal 2009 3(Suppl 1):P41 -
Implication of heteroatom tautomer in QSAR models
Citation: Chemistry Central Journal 2009 3(Suppl 1):P39 -
Comparison of some linear regression methods – available in R – for a QSPR problem
Citation: Chemistry Central Journal 2009 3(Suppl 1):P37 -
Data integration and knowledge transfer: application to the tissue: air partition coefficients
Citation: Chemistry Central Journal 2009 3(Suppl 1):P30 -
Optimization and centralization of working processes in computational chemistry
Citation: Chemistry Central Journal 2009 3(Suppl 1):P26 -
From screening to searching: an index-driven approach to structure-based lead identification
Citation: Chemistry Central Journal 2009 3(Suppl 1):P24 -
How do proteins associate? A lesson from SH3 domain
Citation: Chemistry Central Journal 2009 3(Suppl 1):O22 -
Knowledge-driven multi-objective de novodrug design
Citation: Chemistry Central Journal 2009 3(Suppl 1):P22 -
Probing dynamic water molecules with rigid-ligand complexes
Citation: Chemistry Central Journal 2009 3(Suppl 1):O20 -
Analyzing molecular landscapes using random walks and information theory
Citation: Chemistry Central Journal 2009 3(Suppl 1):P20 -
Dynamic pharmacophores of the 5-HT1B receptor
Citation: Chemistry Central Journal 2009 3(Suppl 1):O18 -
Incorporating QSPR in the enumeration of fragment space
Citation: Chemistry Central Journal 2009 3(Suppl 1):P18 -
Seamless integration of the PubChem database into an universal scriptable chemical information processing environment
Citation: Chemistry Central Journal 2009 3(Suppl 1):O16 -
New and improved features of the docking software PLANTS
Citation: Chemistry Central Journal 2009 3(Suppl 1):P16 -
Virtual screening for PPAR-gamma ligands using the ISOAK molecular graph kernel and gaussian processes
Citation: Chemistry Central Journal 2009 3(Suppl 1):P15 -
The perfect fit? Balancing predictive power and computational complexity for an atomistic model as prerequisite for nano-scale simulations
Citation: Chemistry Central Journal 2009 3(Suppl 1):O14 -
Ligand protonation states and stereoisomers in virtual screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):P14 -
Computational nanoscience
Citation: Chemistry Central Journal 2009 3(Suppl 1):O12 -
Visualisation and exploitation of the chemical space covered by patents
Citation: Chemistry Central Journal 2009 3(Suppl 1):P12 -
Efficient ant colony optimization algorithms for structure- and ligand-based drug design
Citation: Chemistry Central Journal 2009 3(Suppl 1):O10 -
Assessing the selectivity of serine proteases inhibitors using structural similarity
Citation: Chemistry Central Journal 2009 3(Suppl 1):P10 -
Tools for prediction of xenobiotics interaction with human cytochrome P450
Citation: Chemistry Central Journal 2009 3(Suppl 1):P8 -
A novel method for predicting ligand regioselectivity to metabolism by the CYP3A4 enzyme
Citation: Chemistry Central Journal 2009 3(Suppl 1):O8 -
Quantification and visualization of structure-activity-relationships at multiple levels of detail
Citation: Chemistry Central Journal 2009 3(Suppl 1):P6 -
A new approach to kernel based data analysis algorithms
Citation: Chemistry Central Journal 2009 3(Suppl 1):O6 -
Analysis of structure-selectivity relationships through single- or dual step selectivity searching using 2D molecular fingerprints
Citation: Chemistry Central Journal 2009 3(Suppl 1):P4 -
SQUIRRELnovo: de novo design of a PPARα agonist by bioisosteric replacement
Citation: Chemistry Central Journal 2009 3(Suppl 1):O4 -
Investigation of the incidence of "undesirable" molecular moieties for high-throughput screening compound libraries in marketed drug compounds
Citation: Chemistry Central Journal 2009 3(Suppl 1):P2 -
Systematic computational SAR analysis
Citation: Chemistry Central Journal 2009 3(Suppl 1):O2 -
Erratum to: Heavy metal ions in wines: meta-analysis of target hazard quotients reveal health risks
Correction to Naughton DP, Petroczi A: Heavy metal ions in wines: meta-analysis of target hazard quotients reveals health risks. Chem Central J 2008, 2:22.
Citation: Chemistry Central Journal 2009 3:6 -
Electron ionization mass spectral fragmentation study of sulfation derivatives of polychlorinated biphenyls
Polychlorinated biphenyls are persistent organic pollutants that can be metabolized via hydroxylated PCBs to PCB sulfate metabolites. The sensitive and selective analysis of PCB sulfate monoesters by gas chrom...
Citation: Chemistry Central Journal 2009 3:5 -
Automated extraction of chemical structure information from digital raster images
To search for chemical structures in research articles, diagrams or text representing molecules need to be translated to a standard chemical file format compatible with cheminformatic search engines. Neverthel...
Citation: Chemistry Central Journal 2009 3:4 -
Inner-sphere oxidation of ternary iminodiacetatochromium(III) complexes involving DL-valine and L-arginine as secondary ligands. Isokinetic relationship for the oxidation of ternary iminodiacetato-chromium(III) complexes by periodate
In this paper, the kinetics of oxidation of [CrIII(HIDA)(Val)(H2O)2]+ and [CrIII(HIDA)(Arg)(H2O)2]+ (HIDA = iminodiacetic acid, Val = DL-valine and Arg = L-arginine) were studied. The choice of ternary complexes ...
Citation: Chemistry Central Journal 2009 3:3 -
Assembling proteomics data as a prerequisite for the analysis of large scale experiments
Despite the complete determination of the genome sequence of a huge number of bacteria, their proteomes remain relatively poorly defined. Beside new methods to increase the number of identified proteins new da...
Citation: Chemistry Central Journal 2009 3:2 -
Synthesis of 4-Pyridone-3-sulfate and an improved synthesis of 3-Hydroxy-4-Pyridone
An improved synthesis of 3-hydroxy-4-pyridone via an Elbs oxidation of 4-pyridone and isolation of 4-pyridone-3-sulfate is described.
Citation: Chemistry Central Journal 2009 3:1 -
Characterization of deposits formed on diesel injectors in field test and from thermal oxidative degradation of n-hexadecane in a laboratory reactor
Solid deposits from commercially available high-pressure diesel injectors (HPDI) were analyzed to study the solid deposition from diesel fuel during engine operation. The structural and chemical properties of ...
Citation: Chemistry Central Journal 2008 2:25
Annual Journal Metrics
-
2022 Citation Impact
4.6 - 2-year Impact Factor
4.4 - 5-year Impact Factor
1.285 - SNIP (Source Normalized Impact per Paper)
0.607 - SJR (SCImago Journal Rank)2023 Speed
23 days submission to first editorial decision for all manuscripts (Median)
151 days submission to accept (Median)2023 Usage
1,119,604 downloads
98 Altmetric mentionsTransparency and Openness
TOP Factor Score - 9